3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one

C27H38N4O4 — CID 169095455

IUPAC3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
SMILESCCCN(CCN1CCN(C(=O)Cn2ccc(=O)c(O)c2C)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C27H38N4O4/c1-3-10-29(22-7-8-23-21(18-22)5-4-6-24(23)32)15-12-28-13-16-30(17-14-28)26(34)19-31-11-9-25(33)27(35)20(31)2/h4-6,9,11,22,32,35H,3,7-8,10,12-19H2,1-2H3/t22-/m0/s1
InChIKeyIZQAUEGULUIFCM-QFIPXVFZSA-N
MW482.63 g/mol
LogP1.98
Rot. Bonds8

About 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one

3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one (PubChem CID 169095455) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
PubChem CID169095455
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one
SMILESCCCN(CCN1CCN(C(=O)Cn2ccc(=O)c(O)c2C)CC1)[C@H]1CCc2c(O)cccc2C1
InChIInChI=1S/C27H38N4O4/c1-3-10-29(22-7-8-23-21(18-22)5-4-6-24(23)32)15-12-28-13-16-30(17-14-28)26(34)19-31-11-9-25(33)27(35)20(31)2/h4-6,9,11,22,32,35H,3,7-8,10,12-19H2,1-2H3/t22-/m0/s1
InChIKeyIZQAUEGULUIFCM-QFIPXVFZSA-N
XLogP1.98
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one with MolForge

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Related Compounds

(6S)-6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24742011
6-[propyl(3-pyrrol-1-ylpropyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 19895755
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
6-(dibutylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide
CID 12581200
4-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]quinolin-8-ol
CID 45140375
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
6-[2-[4-(9H-carbazol-3-yl)piperazin-1-yl]ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137460087
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 70190052
(6R)-6-[2-(4-aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15115510
(3S)-3-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]-3H-2-benzofuran-1-one
CID 70074576
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one (CID 169095455) is 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one is CCCN(CCN1CCN(C(=O)Cn2ccc(=O)c(O)c2C)CC1)[C@H]1CCc2c(O)cccc2C1.
What is the InChIKey of 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
The InChIKey is IZQAUEGULUIFCM-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-3-10-29(22-7-8-23-21(18-22)5-4-6-24(23)32)15-12-28-13-16-30(17-14-28)26(34)19-31-11-9-25(33)27(35)20(31)2/h4-6,9,11,22,32,35H,3,7-8,10,12-19H2,1-2H3/t22-/m0/s1.
What are the key properties of 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one?
3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one has a molecular weight of 482.63 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-[4-[2-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]ethyl]piperazin-1-yl]-2-oxoethyl]-2-methylpyridin-4-one is sourced from PubChem (CID 169095455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).